SCHEMBL23769667

SCHEMBL23769667

C=Cc1nc(N2CC3CC3C2)ccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
SMPD3 Q9NY59 2/20 0.36
RBP4 P02753 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21712992 0.80 SMPD3 (0.39) PDE10ASMPD3RBP4
SCHEMBL23753985 0.79 PDE10A (0.38) PDE10ASMPD3RBP4HCRTR1HCRTR2
SCHEMBL31357761 0.79 PDE10A (0.38) PDE10ASMPD3RBP4HCRTR1HCRTR2
SCHEMBL23769283 0.79 PDE10A (0.38) PDE10ASMPD3RBP4HCRTR1HCRTR2
SCHEMBL23769666 0.79 PDE10A (0.38) PDE10ASMPD3RBP4HCRTR1HCRTR2
SCHEMBL23769140 0.76 PDE10A (0.38) PDE10ASMPD3
SCHEMBL23769659 0.75 SMPD3 (0.35) PDE10ASMPD3
SCHEMBL31357751 0.75 SMPD3 (0.36) PDE10ASMPD3RBP4HCRTR1HCRTR2
SCHEMBL23754003 0.75 SMPD3 (0.36) PDE10ASMPD3RBP4HCRTR1HCRTR2
SCHEMBL26307832 0.70 SMPD3 (0.32) PDE10ASMPD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 PDE10A 3529/4885SMPD3 1629/4885RBP4 3590/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 PDE10A 3529/4885SMPD3 1629/4885RBP4 3590/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 PDE10A 3529/4885SMPD3 1629/4885RBP4 3590/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 PDE10A 3529/4885SMPD3 1629/4885RBP4 3590/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.